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MCULE-4684787821-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-5726619687-0
- Component type: Counter Ion
-
3
MCULE-1152750770-2
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4684787821-1.sdf |
| SMILES | MCULE-4684787821-1.smiles |
| Standard InChI | MCULE-4684787821-1.inchi |
| InChIKey | MCULE-4684787821-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855345550 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 275.208 |
| logP | -4.3555 |
| H-bond acceptors | 13 |
| H-bond donors | 9 |
| Rotatable bonds | 0 |
| PSA | 328.95 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 59.4516 |
| Atoms | 35 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 18 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
